Basic information
- CAS
61177-98-8- Standard SMILES
Cc1cnn(O)c(=NCCCl)n1- InChIKey
ZAURCFLMNKZXRT-UHFFFAOYSA-N- Molecular formula
- C6H9ClN4O
- Average molar mass
- 188.61 g/mol
- Monoisotopic mass
- 188.0464886
Names & identifiers
- Preferred name
- N-(2-chloroethyl)-2-hydroxy-5-methyl-1,2,4-triazin-3-imine
- IUPAC
- N-(2-chloroethyl)-2-hydroxy-5-methyl-1,2,4-triazin-3-imine
Names & synonyms
61177-98-8N-(2-chloroethyl)-2-hydroxy-5-methyl-1,2,4-triazin-3-imineNSC266757DTXSID90313171NSC-266757(3E)-3-[(2-Chloroethyl)imino]-5-methyl-1,2,4-triazin-2(3H)-ol
Database identifiers
- CAS
61177-98-8- PubChem CID
- 320233
- DTXSID
DTXSID90313171
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 60.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 248
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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